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2-Hexenedioic acid, 2,4-dichloro-5-oxo-

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2-Hexenedioic acid, 2,4-dichloro-5-oxo-
SpectraBase Compound ID GCY496JAPlg
InChI InChI=1S/C6H4Cl2O5/c7-2(4(9)6(12)13)1-3(8)5(10)11/h1-2H,(H,10,11)(H,12,13)/b3-1-
InChIKey FZNLPNDNOQEIGH-IWQZZHSRSA-N
Mol Weight 227.0 g/mol
Molecular Formula C6H4Cl2O5
Exact Mass 225.943579 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7SFLDEYw50L
Name 2-Hexenedioic acid, 2,4-dichloro-5-oxo-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 225.943578624 u
Formula C6H4Cl2O5
InChI InChI=1S/C6H4Cl2O5/c7-2(4(9)6(12)13)1-3(8)5(10)11/h1-2H,(H,10,11)(H,12,13)/b3-1-
InChIKey FZNLPNDNOQEIGH-IWQZZHSRSA-N
Molecular Weight 226.999 g/mol
SMILES C(\C=C\(C(O)=O)Cl)(C(C(O)=O)=O)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.835813